cyclopentyl 6-methyl-4-(4-nitrophenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: cyclopentyl 6-methyl-4-(4-nitrophenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: cyclopentyl 6-methyl-4-(4-nitrophenyl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-methyl-4-(4-nitrophenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid cyclopentyl ester IUPAC Name: cyclopentyl 6-methyl-4-(4-nitrophenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-methyl-4-(4-nitrophenyl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid cyclopentyl ester Formula: C17H19N3O4S MolecularWeight: 361.41546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC3CCCC3

Isomeric SMILES

CC1=C(C(NC(=S)N1)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC3CCCC3

InChI

InChI=1S/C17H19N3O4S/c1-10-14(16(21)24-13-4-2-3-5-13)15(19-17(25)18-10)11-6-8-12(9-7-11)20(22)23/h6-9,13,15H,2-5H2,1H3,(H2,18,19,25)